REMARK  Name = BDB016116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.588   0.081   0.065  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.568   0.625   0.495  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.672  -0.157   0.511  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -1.653  -1.479   0.060  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.414  -1.930  -0.359  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.710  -1.185  -0.367  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.873   0.453   0.923  0.00  0.00    -0.312 N 
ATOM      8  C   LIG    1       -3.615   1.042  -0.218  0.00  0.00    +0.140 C 
ATOM      9  C   LIG    1       -3.467   2.571  -0.256  0.00  0.00    +0.166 C 
ATOM     10  C   LIG    1       -3.931   3.203   1.063  0.00  0.00    +0.197 C 
ATOM     11  F   LIG    1       -5.211   3.656   0.913  0.00  0.00    -0.243 F 
ATOM     12  C   LIG    1       -3.922   2.234   2.239  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1       -2.735   1.292   2.127  0.00  0.00    +0.109 C 
BRANCH   9  14
ATOM     14  O   LIG    1       -2.108   2.948  -0.535  0.00  0.00    -0.387 OA
ATOM     15  H   LIG    1       -1.528   2.242  -0.178  0.00  0.00    +0.210 HD
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   1  18
ATOM     16  C   LIG    1        4.208   1.226  -0.346  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        3.051   0.430  -0.334  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        1.794   0.936   0.060  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        1.739   2.288   0.444  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        2.878   3.096   0.434  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.106   2.567   0.040  0.00  0.00    +0.008 A 
BRANCH  16  26
ATOM     22  C   LIG    1        7.986  -1.887  -1.191  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        7.153  -0.712  -1.118  0.00  0.00    -0.274 N 
ATOM     24  N   LIG    1        7.629   0.465  -1.562  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1        6.619   1.311  -1.342  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1        5.492   0.683  -0.758  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.882  -0.634  -0.625  0.00  0.00    +0.116 A 
ENDBRANCH  16  26
ENDBRANCH   1  18
BRANCH   4  28
ATOM     28  C   LIG    1       -2.814  -2.352   0.043  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -3.050  -3.343  -0.891  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1       -4.243  -3.914  -0.551  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1       -4.916  -4.994  -1.232  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1       -4.805  -3.369   0.540  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1       -3.938  -2.418   0.898  0.00  0.00    +0.143 A 
ENDBRANCH   4  28
TORSDOF 5